2,3-difluoro-4-(2-methylpropyl)piperidine

C9H17F2N — CID 145372081

IUPAC2,3-difluoro-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCNC(F)C1F
InChIInChI=1S/C9H17F2N/c1-6(2)5-7-3-4-12-9(11)8(7)10/h6-9,12H,3-5H2,1-2H3
InChIKeySIGLTPIMMAICDW-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.28
Rot. Bonds2

About 2,3-difluoro-4-(2-methylpropyl)piperidine

2,3-difluoro-4-(2-methylpropyl)piperidine (PubChem CID 145372081) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name2,3-difluoro-4-(2-methylpropyl)piperidine
PubChem CID145372081
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name2,3-difluoro-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCNC(F)C1F
InChIInChI=1S/C9H17F2N/c1-6(2)5-7-3-4-12-9(11)8(7)10/h6-9,12H,3-5H2,1-2H3
InChIKeySIGLTPIMMAICDW-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-methylpropyl)pyrrolidine
CID 62354199
3-(2-methylpropyl)-2-phenylpyrrolidine
CID 62722562
(3S,4S)-3-(2-methylpropyl)piperidin-4-ol
CID 93495959
(3R,4R)-3-(2-methylpropyl)piperidin-4-ol
CID 93495960
[3-(2-methylpropyl)piperidin-4-yl]methanamine
CID 84765835
ethane;3-(2-methylpropyl)piperidin-4-ol
CID 143575873
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
5-(2-methylpropyl)azepane-4-carboxylic acid
CID 84669033
3-ethyl-2-propan-2-ylpyrrolidine
CID 4239947
1-(chloromethyl)-2-(2-methylpropyl)cyclopropane
CID 81357896
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane
CID 164775045

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-methylpropyl)piperidine?
The IUPAC name of 2,3-difluoro-4-(2-methylpropyl)piperidine (CID 145372081) is 2,3-difluoro-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 2,3-difluoro-4-(2-methylpropyl)piperidine?
The canonical SMILES for 2,3-difluoro-4-(2-methylpropyl)piperidine is CC(C)CC1CCNC(F)C1F.
What is the InChIKey of 2,3-difluoro-4-(2-methylpropyl)piperidine?
The InChIKey is SIGLTPIMMAICDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-6(2)5-7-3-4-12-9(11)8(7)10/h6-9,12H,3-5H2,1-2H3.
What are the key properties of 2,3-difluoro-4-(2-methylpropyl)piperidine?
2,3-difluoro-4-(2-methylpropyl)piperidine has a molecular weight of 177.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 145372081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).